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Substance Name: Ajugarin III
RN: 62640-07-7
UNII: 1DUU1OWA63
InChIKey: CKFVDHQBDIXHOT-PGQNDPHJSA-N

Molecular Formula

  • C24-H36-O8

Molecular Weight

  • 452.5404
 
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Names and Synonyms

Name of Substance

  • Ajugarin III

Synonym

  • UNII-1DUU1OWA63

Systematic Name

  • 2(5H)-Furanone, 4-(2-(4-(acetyloxy)-4a-((acetyloxy)methyl)decahydro-5-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl)ethyl)-, (1S-(1alpha,2beta,4beta,4abeta,5beta,8aalpha))-

Registry Numbers

CAS Registry Number

  • 62640-07-7

FDA UNII

  • 1DUU1OWA63

System Generated Number

  • 0062640077

Structure Descriptors

InChI

1S/C24H36O8/c1-15-10-20(32-17(3)27)24(14-31-16(2)26)19(6-5-8-23(24,29)13-25)22(15,4)9-7-18-11-21(28)30-12-18/h11,15,19-20,25,29H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1

InChIKey

CKFVDHQBDIXHOT-PGQNDPHJSA-N

Smiles

C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC[C@@]2(CO)O)COC(=O)C)OC(=O)C